N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine

C22H31N5 — CID 112868654

IUPACN-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
SMILESCc1nc(NC2CCCC2)cc(N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C22H31N5/c1-16-7-6-10-20(17(16)2)26-11-13-27(14-12-26)22-15-21(23-18(3)24-22)25-19-8-4-5-9-19/h6-7,10,15,19H,4-5,8-9,11-14H2,1-3H3,(H,23,24,25)
InChIKeyPUIRNPCBPNVMAM-UHFFFAOYSA-N
MW365.53 g/mol
LogP4.08
Rot. Bonds4

About N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine

N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine (PubChem CID 112868654) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
PubChem CID112868654
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC NameN-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
SMILESCc1nc(NC2CCCC2)cc(N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C22H31N5/c1-16-7-6-10-20(17(16)2)26-11-13-27(14-12-26)22-15-21(23-18(3)24-22)25-19-8-4-5-9-19/h6-7,10,15,19H,4-5,8-9,11-14H2,1-3H3,(H,23,24,25)
InChIKeyPUIRNPCBPNVMAM-UHFFFAOYSA-N
XLogP4.08
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868596
N-cyclopentyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112868660
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine
CID 112867227
N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112869024
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109360829
1-[4-[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871211
N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112882393
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2-methylpyrimidin-4-amine
CID 112871354
N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112876028
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine
CID 112875379
N-cyclopentyl-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide
CID 17371349
[2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109297901

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine (CID 112868654) is N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine is Cc1nc(NC2CCCC2)cc(N2CCN(c3cccc(C)c3C)CC2)n1.
What is the InChIKey of N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
The InChIKey is PUIRNPCBPNVMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c1-16-7-6-10-20(17(16)2)26-11-13-27(14-12-26)22-15-21(23-18(3)24-22)25-19-8-4-5-9-19/h6-7,10,15,19H,4-5,8-9,11-14H2,1-3H3,(H,23,24,25).
What are the key properties of N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine has a molecular weight of 365.53 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112868654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).